5-Ethyl-5-n-hexylbarbituric acid
- CAS:
- Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-hexyl-; Barbituric acid, 5-ethyl-5-hexyl-; Hexethal; Ortal; Ortol; 5-Ethyl-5-hexylbarbituric acid; Acide hexylethylbarbiturique; 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- SMILES: CCCCCCC1(CC)C(=O)NC(=O)NC1=O
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 240.30 |
5 |
2 |
2.38 |
75.27000000000001 |
6 |
47 |
0.75 |
C12H20N2O3 |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
nt1289 |
None |
|
Jan. 1, 2023 |
Bar codes
| Plate barcode |
Sample barcode |
|
|
PAINS
| Identified PAINS |
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
| [b-Cyclodextrin](1).[5-Ethyl-5-n-hexylbarbituric acid] |
3.46 |
|
|
25.0 |
|
Kenneth A. Connors 1995 |